3-(5-{[5-(benzylsulfanyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid
Chemical Structure Depiction of
3-(5-{[5-(benzylsulfanyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid
3-(5-{[5-(benzylsulfanyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid
Compound characteristics
| Compound ID: | C639-0292 |
| Compound Name: | 3-(5-{[5-(benzylsulfanyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C22 H15 N O4 S3 |
| Smiles: | C(c1ccccc1)Sc1ccc(/C=C2/C(N(C(=S)S2)c2cccc(c2)C(O)=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.3647 |
| logD: | 2.6751 |
| logSw: | -5.5194 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.029 |
| InChI Key: | NCWJGHXUVFXRDJ-UHFFFAOYSA-N |